(2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C14H17N3OS2 — CID 47445294

IUPAC(2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCN(Cc3ccsc3)CC2)cs1
InChIInChI=1S/C14H17N3OS2/c1-11-15-13(10-20-11)14(18)17-5-3-16(4-6-17)8-12-2-7-19-9-12/h2,7,9-10H,3-6,8H2,1H3
InChIKeyUBRWOMHHDBESDJ-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.47
Rot. Bonds3

About (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

(2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 47445294) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID47445294
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCN(Cc3ccsc3)CC2)cs1
InChIInChI=1S/C14H17N3OS2/c1-11-15-13(10-20-11)14(18)17-5-3-16(4-6-17)8-12-2-7-19-9-12/h2,7,9-10H,3-6,8H2,1H3
InChIKeyUBRWOMHHDBESDJ-UHFFFAOYSA-N
XLogP2.47
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 43073356
[2-(Methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 48573949
1,3-Thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97472737
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 45887477
2-(1,3-Thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 138034147
1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 30835750
2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 47120048
1-[4-(2,2-Difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 49071081
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 52252995
N-cyclopropyl-N-(2,2-difluoroethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 53596639
N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 86997213
N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 103857308

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 47445294) is (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is Cc1nc(C(=O)N2CCN(Cc3ccsc3)CC2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is UBRWOMHHDBESDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-11-15-13(10-20-11)14(18)17-5-3-16(4-6-17)8-12-2-7-19-9-12/h2,7,9-10H,3-6,8H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
(2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 307.44 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 47445294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).